BDBM50468106 CHEMBL4280801::US11247985, Table 3.49

SMILES CN1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)CCC1

InChI Key InChIKey=IKTPSOBWZZCXTI-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50468106   

TargetTransitional endoplasmic reticulum ATPase(Human)
University of Pittsburgh Chemical Diversity Center

Curated by ChEMBL
LigandPNGBDBM50468106(CHEMBL4280801 | US11247985, Table 3.49)
Affinity DataEC50: >4.00E+4nMAssay Description:Inhibition of human p97 in human HeLa cells harboring UbG76V-GFP assessed as accumulation of UbG76V after 6 hrs by microscopic analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetTransitional endoplasmic reticulum ATPase(Human)
University of Pittsburgh Chemical Diversity Center

Curated by ChEMBL
LigandPNGBDBM50468106(CHEMBL4280801 | US11247985, Table 3.49)
Affinity DataIC50: 20nMAssay Description:Inhibition of recombinant full length human p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2 (DE3) using 100 uM ATP as substrate after...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetTransitional endoplasmic reticulum ATPase(Human)
University of Pittsburgh Chemical Diversity Center

Curated by ChEMBL
LigandPNGBDBM50468106(CHEMBL4280801 | US11247985, Table 3.49)
Affinity DataEC50:  1.50E+4nMAssay Description:Inhibition of human p97 in human HeLa cells harboring UbG76V-GFP assessed as accumulation of UbG76V after 1 hr by microscopic analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetTransitional endoplasmic reticulum ATPase(Human)
University of Pittsburgh Chemical Diversity Center

Curated by ChEMBL
LigandPNGBDBM50468106(CHEMBL4280801 | US11247985, Table 3.49)
Affinity DataIC50: 15nMAssay Description:To optimize p97 inhibitors, the C-5 trifluoromethylated trifluoromethylated indole 12 was generated as a promising lead structure. In the ADP-Glo ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2022
Entry Details
Go to US Patent